Ru3H(CO)9(C2H3O)(C6H5)3P Evans J, Stroud P M, Webster M Acta Crystallographica C46 (1990) 2334-2337 Structure of (nonacarbonyl-1K4C,2K3C,3K2C)-u-(hydrido-2:3K2H)-u- (methoxymethylidyne-2:3K2C)-(triphenylphosphine-3KP)-triangulo- triruthenium(3 Ru-Ru) _database_code_amcsd 0010234 CELL PARAMETERS: 21.7930 15.9450 18.6480 90.000 99.450 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 6392.044 Density (g/cm3): 1.753 MAX. ABS. INTENSITY / VOLUME**2: 14.51191913 RIR: 2.696 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 6.90 61.09 12.8067 1 1 0 4 8.23 26.48 10.7486 2 0 0 2 9.62 24.58 9.1975 0 0 2 2 11.10 100.00 7.9725 0 2 0 2 11.28 60.94 7.8428 -1 1 2 4 11.59 26.13 7.6349 -2 0 2 2 12.10 1.20 7.3150 0 2 1 4 12.39 49.50 7.1467 1 1 2 4 13.55 12.45 6.5361 3 1 0 4 13.83 14.19 6.4034 2 2 0 4 14.19 6.55 6.2399 -2 2 1 4 14.70 3.51 6.0243 0 2 2 4 15.09 1.20 5.8717 2 2 1 4 15.40 1.39 5.7540 -1 1 3 4 15.41 5.44 5.7499 -3 1 2 4 16.07 25.02 5.5142 -2 2 2 4 16.49 6.36 5.3743 4 0 0 2 16.63 2.09 5.3311 1 1 3 4 17.19 5.96 5.1596 1 3 0 4 17.63 3.12 5.0295 2 2 2 4 19.04 3.83 4.6623 -2 2 3 4 19.30 8.07 4.5987 0 0 4 2 19.39 7.15 4.5776 -1 3 2 4 19.85 3.14 4.4726 -4 2 1 4 19.92 1.13 4.4563 4 2 0 4 20.06 2.41 4.4261 1 3 2 4 20.46 1.56 4.3402 4 0 2 2 20.93 1.76 4.2435 -4 2 2 4 21.16 1.48 4.1995 1 1 4 4 21.18 1.37 4.1947 -5 1 1 4 21.41 1.41 4.1512 5 1 0 4 22.05 1.52 4.0308 -5 1 2 4 22.07 1.57 4.0268 -1 3 3 4 22.08 1.86 4.0254 -3 3 2 4 22.30 1.23 3.9862 0 4 0 2 22.32 1.14 3.9835 0 2 4 4 22.68 1.65 3.9214 -2 2 4 4 22.69 2.21 3.9182 5 1 1 4 22.96 2.82 3.8734 1 3 3 4 23.02 3.97 3.8637 -4 2 3 4 23.82 1.12 3.7351 3 3 2 4 24.02 3.91 3.7042 -2 4 1 4 24.85 1.57 3.5829 6 0 0 2 24.89 5.81 3.5770 5 1 2 4 24.92 2.16 3.5733 2 2 4 4 25.15 4.75 3.5409 -6 0 2 2 25.20 2.57 3.5336 -2 4 2 4 25.29 3.43 3.5211 3 1 4 4 25.43 3.85 3.5023 -1 3 4 4 25.95 1.61 3.4333 -3 1 5 4 26.25 3.70 3.3956 2 4 2 4 26.99 1.49 3.3040 -6 2 1 4 27.07 3.54 3.2934 -3 3 4 4 27.23 5.85 3.2756 -2 4 3 4 27.29 1.41 3.2680 6 2 0 4 27.52 1.30 3.2411 4 0 4 2 27.56 2.05 3.2361 -6 2 2 4 28.17 1.04 3.1673 6 0 2 2 28.45 5.05 3.1377 6 2 1 4 28.77 1.29 3.1034 4 4 1 4 28.97 2.29 3.0823 -6 0 4 2 28.97 5.27 3.0819 -6 2 3 4 29.15 8.97 3.0632 2 2 5 4 29.23 1.17 3.0556 -7 1 1 4 29.25 2.12 3.0529 -1 3 5 4 29.28 4.23 3.0499 -1 1 6 4 29.62 1.84 3.0156 7 1 0 4 29.66 2.90 3.0121 0 4 4 4 29.72 4.76 3.0062 -1 5 2 4 30.17 1.69 2.9620 1 5 2 4 30.20 1.35 2.9593 -4 4 3 4 30.39 2.24 2.9412 1 3 5 4 30.49 1.17 2.9323 -3 3 5 4 30.75 2.93 2.9078 -3 5 1 4 31.09 2.52 2.8770 -2 2 6 4 31.58 2.82 2.8329 -1 5 3 4 32.22 1.06 2.7779 1 5 3 4 32.71 3.14 2.7378 7 1 2 4 33.35 2.32 2.6863 -7 3 1 4 33.40 2.93 2.6825 -1 3 6 4 33.47 1.60 2.6773 -5 1 6 4 33.63 1.59 2.6647 6 4 0 4 33.73 1.06 2.6572 -7 3 2 4 34.16 3.25 2.6251 6 0 4 2 35.04 1.31 2.5609 -6 4 3 4 35.15 1.20 2.5531 0 6 2 4 35.19 1.49 2.5501 2 4 5 4 35.35 2.96 2.5390 -3 5 4 4 35.45 1.14 2.5323 -5 5 2 4 35.64 1.23 2.5192 -2 2 7 4 35.83 1.94 2.5063 -8 0 4 2 35.87 1.14 2.5036 5 5 1 4 36.02 4.01 2.4934 6 2 4 4 36.34 4.28 2.4724 8 0 2 2 36.36 1.27 2.4707 8 2 1 4 36.48 1.07 2.4628 7 3 2 4 36.54 1.32 2.4589 2 6 2 4 36.84 1.70 2.4396 -2 4 6 4 37.09 1.19 2.4237 -1 5 5 4 37.28 3.05 2.4121 -2 6 3 4 37.62 1.19 2.3909 -8 2 4 4 37.81 2.11 2.3791 4 2 6 4 38.10 2.87 2.3621 -3 5 5 4 38.11 3.46 2.3614 8 2 2 4 38.24 1.75 2.3538 7 1 4 4 38.35 1.08 2.3474 -7 1 6 4 38.68 1.80 2.3280 -2 0 8 2 39.15 1.30 2.3009 0 6 4 4 39.20 1.52 2.2982 5 1 6 4 39.55 2.07 2.2785 -3 1 8 4 39.98 2.71 2.2553 -9 1 4 4 40.33 1.81 2.2363 -8 4 2 4 40.36 1.85 2.2347 -2 2 8 4 40.49 1.30 2.2277 -7 5 1 4 40.86 2.03 2.2085 -8 0 6 2 41.14 1.14 2.1940 0 4 7 4 41.48 1.28 2.1769 8 4 1 4 42.35 1.38 2.1345 6 6 0 4 42.81 1.62 2.1125 -3 3 8 4 43.20 1.41 2.0940 -9 3 4 4 43.30 1.40 2.0897 3 7 2 4 44.91 1.23 2.0182 1 7 4 4 45.03 1.12 2.0134 -2 6 6 4 45.46 2.28 1.9951 7 1 6 4 45.95 1.35 1.9749 9 1 4 4 47.14 1.05 1.9278 -9 5 1 4 47.56 1.01 1.9117 -3 7 5 4 47.83 1.01 1.9017 -11 1 4 4 48.94 1.10 1.8612 -10 2 6 4 50.25 1.23 1.8157 -2 2 10 4 51.07 1.27 1.7884 -4 2 10 4 51.48 1.15 1.7751 -11 1 6 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.